2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide

C17H26N2O2 — CID 51170947

IUPAC2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCCCCCC1
InChIInChI=1S/C17H26N2O2/c1-21-16-10-6-5-9-15(16)13-18-17(20)14-19-11-7-3-2-4-8-12-19/h5-6,9-10H,2-4,7-8,11-14H2,1H3,(H,18,20)
InChIKeyHUYDJHIFOJQYPV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.58
Rot. Bonds5

About 2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide

2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 51170947) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID51170947
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CCCCCCC1
InChIInChI=1S/C17H26N2O2/c1-21-16-10-6-5-9-15(16)13-18-17(20)14-19-11-7-3-2-4-8-12-19/h5-6,9-10H,2-4,7-8,11-14H2,1H3,(H,18,20)
InChIKeyHUYDJHIFOJQYPV-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458
ethyl 4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932090
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920219
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171704523
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963608
N-[(2-methoxyphenyl)methyl]-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
CID 91840853
N-[(2-methoxyphenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592411
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905867
2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 62654429
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide (CID 51170947) is 2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is HUYDJHIFOJQYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-21-16-10-6-5-9-15(16)13-18-17(20)14-19-11-7-3-2-4-8-12-19/h5-6,9-10H,2-4,7-8,11-14H2,1H3,(H,18,20).
What are the key properties of 2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide?
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 51170947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).